Modeling the electronic structure and stability of three aluminum nitride phases
Phase transitions in aluminum nitride (AlN) were investigated by first-principles total energy calculations. Three AlN crystal structures were considered: rock salt (NaCl), zinc blende, and wurtzite. The cohesion energy was calculated within both GGA and LDA formalisms. According to the cohesion ene...
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| Publicado no: | Revista Mexicana de Física |
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| Principais autores: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Sociedad Mexicana de Física A.C.
2021
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| Assuntos: | |
| Acesso em linha: | https://www.redalyc.org/articulo.oa?id=57082948001 |
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